Quickly find freely available drug and population models in our PBPK model repository.
The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.
To contribute published user compound and/or population files, upload your files here: Upload Model Files
Brand Name(s) include: Qualaquin
Disease: Malaria
Drug Class: Antimalarials
Date Updated: 2021
Absorption Model |
First-Order |
Volume of Distribution |
Minimal PBPK (Method 1) |
Route of Elimination |
CYP3A4 (fm = 0.50); renal clearance (fe = 0.1) |
Perpetrator DDI |
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Validation |
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Limitations |
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Updates in V19 |
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Prepared: June 2023 The RES-Velpatasvir_V21 model has been developed primarily as inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. There are limited PK and DDI studies available for Velpatasvir and it is generally used in a fixed dose combination using 100 mg Velpatasvir. Thus, the Velpatasvir file is a Fit-for-purpose PBPK model for 50 mg to 100 mg QD. The Rosuvastatin DDI is a 100 mg QD study. Example workspaces for Velpatasvir PK and the DDI with Rosuvastatin are attached. The BCRP component of Rosuvastatin (V21 using the New GI physiology) was optimised using Eltrombopag and then verified with other BCRP-Inhibitors available on the members area or within the Simcyp Simulator, see attached ‘BCRP-Inhibitor V21’ document for details.
Brand Name: Viramune
Disease: HIV
Drug Class: non-nucleoside reverse transcriptase inhibitor
Version: 21
Date Updated: March 2024
Absorption Model |
First order |
Volume of Distribution Details |
Full PBPK (Method 2) |
Route of Elimination |
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Perpetrator DDI |
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Validation |
The refined model was able to recover clinically observed concentration-time profiles of nevirapine following single and multiple dosing. Four clinical DDI studies where nevirapine was administered with either fluconazole, rifampin, or itraconazole were used to verify the PBPK model of nevirapine as a victim. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.25-fold. Two clinical DDI studies where nevirapine was administered with either itraconazole or quinidine were used to verify the PBPK model of nevirapine as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.5-fold. |
Limitations |
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This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.
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